ethyl 5-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-9-fluoranyl-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 5-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-9-fluoranyl-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-9-fluoro-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 5-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-9-fluoro-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-9-fluoro-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-9-fluoro-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C24H22F4N4O3 MolecularWeight: 490.450093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CN(CC3=C(N2C=N1)C=C(C=C3)F)C(=O)CC(CC4=CC(=C(C=C4F)F)F)N

Isomeric SMILES

CCOC(=O)C1=C2CN(CC3=C(N2C=N1)C=C(C=C3)F)C(=O)C[C@@H](CC4=CC(=C(C=C4F)F)F)N

InChI

InChI=1S/C24H22F4N4O3/c1-2-35-24(34)23-21-11-31(10-13-3-4-15(25)7-20(13)32(21)12-30-23)22(33)8-16(29)5-14-6-18(27)19(28)9-17(14)26/h3-4,6-7,9,12,16H,2,5,8,10-11,29H2,1H3/t16-/m1/s1